N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]acetamide;hydroiodide

C24H39IN6O2 — CID 111517395

About N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]acetamide;hydroiodide

N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]acetamide;hydroiodide (PubChem CID 111517395) has the molecular formula C24H39IN6O2 and a molecular weight of 570.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]acetamide;hydroiodide
• PubChem CID: 111517395
• Molecular Formula: C24H39IN6O2
• Molecular Weight: 570.52 g/mol
• Exact Mass: 570.22
• IUPAC Name: N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]acetamide;hydroiodide
• SMILES: CCC(CC)c1cc(CN/C(=N\CC(=O)N(C)C)NCCCN(C)c2ccccc2)on1.I
• InChI: InChI=1S/C24H38N6O2.HI/c1-6-19(7-2)22-16-21(32-28-22)17-26-24(27-18-23(31)29(3)4)25-14-11-15-30(5)20-12-9-8-10-13-20;/h8-10,12-13,16,19H,6-7,11,14-15,17-18H2,1-5H3,(H2,25,26,27);1H
• InChIKey: CWFOTVNJAGJEBR-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 86.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.52
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]acetamide;hydroiodide?

The IUPAC name of N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]acetamide;hydroiodide (CID 111517395) is N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]acetamide;hydroiodide.

What is the SMILES notation for N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]acetamide;hydroiodide?

The canonical SMILES for N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]acetamide;hydroiodide is CCC(CC)c1cc(CN/C(=N\CC(=O)N(C)C)NCCCN(C)c2ccccc2)on1.I.

What is the InChIKey of N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]acetamide;hydroiodide?

The InChIKey is CWFOTVNJAGJEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O2.HI/c1-6-19(7-2)22-16-21(32-28-22)17-26-24(27-18-23(31)29(3)4)25-14-11-15-30(5)20-12-9-8-10-13-20;/h8-10,12-13,16,19H,6-7,11,14-15,17-18H2,1-5H3,(H2,25,26,27);1H.

What are the key properties of N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]acetamide;hydroiodide?

N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 570.52 g/mol, XLogP of 3.85, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111517395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).